SCHEMBL750081

SCHEMBL750081

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)O)[nH]c5c4)ccc2-3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.39
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
HPGDS O60760 3/20 0.36
CHEK2 O96017 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15405278 0.96 PRCP (0.40) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL19883696 0.96 PRCP (0.40) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL205736 0.96 PRCP (0.40) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL2709548 0.96 PRCP (0.40) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL15405280 0.96 PRCP (0.40) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL749722 0.93 PRCP (0.42) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL749932 0.92 PRCP (0.45) PRCPHCRTR1HCRTR2HPGDSCYP3A4
SCHEMBL205263 0.89 PRCP (0.43) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL2707667 0.89 PRCP (0.43) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL749228 0.89 PRCP (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed